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CHEBI:138291 - (5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid

ChEBI IDCHEBI:138291
ChEBI Name(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid
Stars
ASCII Name(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid
DefinitionA bis(hydroperoxy)icosatetraenoic acid that is (6E,8Z,11Z,13E)-icosatetraenoic acid in which the two hydroperoxy groups are located at positions 5S and 15S.
Last Modified23 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILESCCCCC[C@@H](/C=C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO)OO
InChIInChI=1S/C20H32O6/c1-2-3-9-13-18(25-23)14-10-7-5-4-6-8-11-15-19(26-24)16-12-17-20(21)22/h5-8,10-11,14-15,18-19,23-24H,2-4,9,12-13,16-17H2,1H3,(H,21,22)/b7-5-,8-6-,14-10+,15-11+/t18-,19+/m0/s1
InChIKeyPCIOUQYHTPPZEM-BVHTXILBSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - PubMed (6806263)
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (6806263)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid (CHEBI:138291) has role human blood serum metabolite (CHEBI:85234)
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid (CHEBI:138291) has role human xenobiotic metabolite (CHEBI:76967)
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid (CHEBI:138291) has role rat metabolite (CHEBI:86264)
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid (CHEBI:138291) is a bis(hydroperoxy)icosatetraenoic acid (CHEBI:138293)
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid (CHEBI:138291) is conjugate acid of (5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoate (CHEBI:137543)
Incoming Relation(s)
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoate (CHEBI:137543) is conjugate base of (5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid (CHEBI:138291)
IUPAC Name 
(5S,6E,8Z,11Z,13E,15S)-5,15-bis(hydroperoxy)icosa-6,8,11,13-tetraenoic acid
Synonyms  Source
(5S,6E,8Z,11Z,13E,15S)-5,15-bis(hydroperoxy)icosatetraenoic acidChEBI
(5S,15S)-diHPETEChEBI
5(S),15(S)-diHPETEChEBI
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-eicosatetraenoic acidChEBI
(5S,6E,8Z,11Z,13E,15S)-5,15-bis(hydroperoxy)eicosatetraenoic acidChEBI
5(S),15(S)-dihydroxy-6,13-trans-8,11-cis-icosatetraenoic acidChEBI
Citations